[1-[4-(1-benzofuran-2-yl)pyrimidin-2-yl]-5-methyl-pyrazol-4-yl]-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone

Systemtic Name: [1-[4-(1-benzofuran-2-yl)pyrimidin-2-yl]-5-methyl-pyrazol-4-yl]-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone Openeye Name: [1-[4-(benzofuran-2-yl)pyrimidin-2-yl]-5-methyl-pyrazol-4-yl]-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone CAS Name: [1-[4-(2-benzofuranyl)-2-pyrimidinyl]-5-methyl-4-pyrazolyl]-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone IUPAC Name: [1-[4-(1-benzofuran-2-yl)pyrimidin-2-yl]-5-methylpyrazol-4-yl]-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone Traditional Name: [1-[4-(benzofuran-2-yl)pyrimidin-2-yl]-5-methyl-pyrazol-4-yl]-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone Formula: C23H25N6O2+ MolecularWeight: 417.4836

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=NC=CC(=N2)C3=CC4=CC=CC=C4O3)C(=O)N5CCC[NH+](CC5)C

Isomeric SMILES

CC1=C(C=NN1C2=NC=CC(=N2)C3=CC4=CC=CC=C4O3)C(=O)N5CCC[NH+](CC5)C

InChI

InChI=1S/C23H24N6O2/c1-16-18(22(30)28-11-5-10-27(2)12-13-28)15-25-29(16)23-24-9-8-19(26-23)21-14-17-6-3-4-7-20(17)31-21/h3-4,6-9,14-15H,5,10-13H2,1-2H3/p+1